N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H25NO4 — CID 103944415

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCC(C)(O)CNC(=O)COC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyVYMCDLIFTWBYLV-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.71
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103944415) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103944415
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCC(C)(O)CNC(=O)COC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyVYMCDLIFTWBYLV-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 102977030

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103944415) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COCCC(C)(O)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is VYMCDLIFTWBYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 247.33 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103944415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).